2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide

C14H13Cl2N3O3 — CID 75504262

IUPAC2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O3/c15-9-1-2-11(16)10(7-9)12(20)18-14(3-5-21-6-4-14)13-17-8-22-19-13/h1-2,7-8H,3-6H2,(H,18,20)
InChIKeyJDPXSOBEEKSYST-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.81
Rot. Bonds3

About 2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide

2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide (PubChem CID 75504262) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
PubChem CID75504262
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC Name2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O3/c15-9-1-2-11(16)10(7-9)12(20)18-14(3-5-21-6-4-14)13-17-8-22-19-13/h1-2,7-8H,3-6H2,(H,18,20)
InChIKeyJDPXSOBEEKSYST-UHFFFAOYSA-N
XLogP2.81
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
CID 86789098
4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
CID 86788801
4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
CID 75507636
3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide
CID 127877610
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
5-(2-methylpropyl)-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide
CID 86789105
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
CID 116604624
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662
N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 167848195
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide (CID 75504262) is 2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide is O=C(NC1(c2ncon2)CCOCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The InChIKey is JDPXSOBEEKSYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c15-9-1-2-11(16)10(7-9)12(20)18-14(3-5-21-6-4-14)13-17-8-22-19-13/h1-2,7-8H,3-6H2,(H,18,20).
What are the key properties of 2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide has a molecular weight of 342.18 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 75504262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).